lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride

C8H7LiO10S2 — CID 174776590

IUPAClithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride
SMILESO=C(O)c1cc(C(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c1.[H-].[Li+]
InChIInChI=1S/C8H6O10S2.Li.H/c9-7(10)3-1-4(8(11)12)6(20(16,17)18)5(2-3)19(13,14)15;;/h1-2H,(H,9,10)(H,11,12)(H,13,14,15)(H,16,17,18);;/q;+1;-1
InChIKeyYZHBBVCMXVKIEC-UHFFFAOYSA-N
MW334.21 g/mol
LogP-3.31
Rot. Bonds4

About lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride

lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride (PubChem CID 174776590) has the molecular formula C8H7LiO10S2 and a molecular weight of 334.21 g/mol. Its IUPAC name is lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride.

Molecular Properties

Compound Namelithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride
PubChem CID174776590
Molecular FormulaC8H7LiO10S2
Molecular Weight334.21 g/mol
Exact Mass333.96
IUPAC Namelithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride
SMILESO=C(O)c1cc(C(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c1.[H-].[Li+]
InChIInChI=1S/C8H6O10S2.Li.H/c9-7(10)3-1-4(8(11)12)6(20(16,17)18)5(2-3)19(13,14)15;;/h1-2H,(H,9,10)(H,11,12)(H,13,14,15)(H,16,17,18);;/q;+1;-1
InChIKeyYZHBBVCMXVKIEC-UHFFFAOYSA-N
XLogP-3.31
TPSA183.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 5-3.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 173045558
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CID 87457242
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3,5-dimethyl-2-sulfoterephthalic acid;2-sulfoterephthalic acid
CID 158513930
sodium;3,5-disulfobenzoic acid;hydride
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4-methoxy-5-(2-sulfophenoxy)sulfonylbenzene-1,3-dicarboxylic acid
CID 87720781
4-methyl-5-sulfamoylbenzene-1,3-dicarboxylic acid
CID 174775873
3,5-disulfobenzoic acid;trihydrochloride
CID 173375606
calcium;hydride;2-hydroxybenzene-1,3,5-tricarboxylic acid
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CID 88764691
potassium;hydride;3-hydroxy-4-sulfobenzoic acid
CID 173217056

Frequently Asked Questions

What is the IUPAC name of lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride?
The IUPAC name of lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride (CID 174776590) is lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride.
What is the SMILES notation for lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride?
The canonical SMILES for lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride is O=C(O)c1cc(C(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c1.[H-].[Li+].
What is the InChIKey of lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride?
The InChIKey is YZHBBVCMXVKIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O10S2.Li.H/c9-7(10)3-1-4(8(11)12)6(20(16,17)18)5(2-3)19(13,14)15;;/h1-2H,(H,9,10)(H,11,12)(H,13,14,15)(H,16,17,18);;/q;+1;-1.
What are the key properties of lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride?
lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride has a molecular weight of 334.21 g/mol, XLogP of -3.31, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4,5-disulfobenzene-1,3-dicarboxylic acid;hydride is sourced from PubChem (CID 174776590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).